3-methyl-6-(trifluoromethyl)-1,3-thiazinane

C6H10F3NS — CID 162597243

IUPAC3-methyl-6-(trifluoromethyl)-1,3-thiazinane
SMILESCN1CCC(C(F)(F)F)SC1
InChIInChI=1S/C6H10F3NS/c1-10-3-2-5(11-4-10)6(7,8)9/h5H,2-4H2,1H3
InChIKeyDBDVMJAZNZNSNV-UHFFFAOYSA-N
MW185.21 g/mol
LogP1.94
Rot. Bonds

About 3-methyl-6-(trifluoromethyl)-1,3-thiazinane

3-methyl-6-(trifluoromethyl)-1,3-thiazinane (PubChem CID 162597243) has the molecular formula C6H10F3NS and a molecular weight of 185.21 g/mol. Its IUPAC name is 3-methyl-6-(trifluoromethyl)-1,3-thiazinane.

Molecular Properties

Compound Name3-methyl-6-(trifluoromethyl)-1,3-thiazinane
PubChem CID162597243
Molecular FormulaC6H10F3NS
Molecular Weight185.21 g/mol
Exact Mass185.05
IUPAC Name3-methyl-6-(trifluoromethyl)-1,3-thiazinane
SMILESCN1CCC(C(F)(F)F)SC1
InChIInChI=1S/C6H10F3NS/c1-10-3-2-5(11-4-10)6(7,8)9/h5H,2-4H2,1H3
InChIKeyDBDVMJAZNZNSNV-UHFFFAOYSA-N
XLogP1.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 123784194
4-Methyl-2-(trifluoromethyl)thiomorpholine
CID 145167716
3-Methyl-5-(trifluoromethyl)-1,3-thiazinane
CID 145167748
4-Methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 146488819
3-Ethylsulfanyl-4,4-difluoro-1-methylpiperidine
CID 146631131
1-Ethyl-2,2-difluoro-4-methylsulfanylpiperidine
CID 155034445
2,2-Difluoro-1-methyl-4-methylsulfanylpiperidine
CID 167300781
5,5-Difluoro-3-methyl-1,3-thiazinane
CID 168260375
4,4-Difluoro-1-(3-methylsulfanylpropyl)piperidine
CID 169957773
Tetrahydro-3-methyl-2H-1,3-thiazine
CID 12634513
2,4,4,4-tetrafluoro-N,N-dimethyl-3-methylsulfanylbutan-1-amine
CID 101034099
4-(2,2-Difluoroethyl)-2-methylthiomorpholine
CID 130626507

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(trifluoromethyl)-1,3-thiazinane?
The IUPAC name of 3-methyl-6-(trifluoromethyl)-1,3-thiazinane (CID 162597243) is 3-methyl-6-(trifluoromethyl)-1,3-thiazinane.
What is the SMILES notation for 3-methyl-6-(trifluoromethyl)-1,3-thiazinane?
The canonical SMILES for 3-methyl-6-(trifluoromethyl)-1,3-thiazinane is CN1CCC(C(F)(F)F)SC1.
What is the InChIKey of 3-methyl-6-(trifluoromethyl)-1,3-thiazinane?
The InChIKey is DBDVMJAZNZNSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NS/c1-10-3-2-5(11-4-10)6(7,8)9/h5H,2-4H2,1H3.
What are the key properties of 3-methyl-6-(trifluoromethyl)-1,3-thiazinane?
3-methyl-6-(trifluoromethyl)-1,3-thiazinane has a molecular weight of 185.21 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(trifluoromethyl)-1,3-thiazinane is sourced from PubChem (CID 162597243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).